3-cyclohexyl-5,5-dimethyl-1,3-thiazolidin-2-imine

C11H20N2S — CID 167458195

IUPAC3-cyclohexyl-5,5-dimethyl-1,3-thiazolidin-2-imine
SMILES[H]/N=C1\SC(C)(C)CN1C1CCCCC1
InChIInChI=1S/C11H20N2S/c1-11(2)8-13(10(12)14-11)9-6-4-3-5-7-9/h9,12H,3-8H2,1-2H3/b12-10-
InChIKeyCDBUQCDXWZQKEM-BENRWUELSA-N
MW212.36 g/mol
LogP3.08
Rot. Bonds1

About 3-cyclohexyl-5,5-dimethyl-1,3-thiazolidin-2-imine

3-cyclohexyl-5,5-dimethyl-1,3-thiazolidin-2-imine (PubChem CID 167458195) has the molecular formula C11H20N2S and a molecular weight of 212.36 g/mol. Its IUPAC name is 3-cyclohexyl-5,5-dimethyl-1,3-thiazolidin-2-imine.

Molecular Properties

Compound Name3-cyclohexyl-5,5-dimethyl-1,3-thiazolidin-2-imine
PubChem CID167458195
Molecular FormulaC11H20N2S
Molecular Weight212.36 g/mol
Exact Mass212.13
IUPAC Name3-cyclohexyl-5,5-dimethyl-1,3-thiazolidin-2-imine
SMILES[H]/N=C1\SC(C)(C)CN1C1CCCCC1
InChIInChI=1S/C11H20N2S/c1-11(2)8-13(10(12)14-11)9-6-4-3-5-7-9/h9,12H,3-8H2,1-2H3/b12-10-
InChIKeyCDBUQCDXWZQKEM-BENRWUELSA-N
XLogP3.08
TPSA27.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.36
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

3-Butyl-5,5-dimethylthiazolidin-2-imine
CID 66643111
3-Butyl-3a,4,5,6,7,7a-hexahydro-1,3-benzothiazol-2-imine
CID 67281041
3-Butyl-1-thia-3-azaspiro[4.5]decan-2-imine
CID 67281312
3-Cyclohexyl-4,4-dimethyl-1,3-thiazolidin-2-imine
CID 167458143
3-Cyclohexyl-1,3-thiazolidin-2-imine
CID 167458153
3-Cyclohexyl-5,5-dimethyl-1,3-thiazolidin-2-imine
CID 172201741

Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-5,5-dimethyl-1,3-thiazolidin-2-imine?
The IUPAC name of 3-cyclohexyl-5,5-dimethyl-1,3-thiazolidin-2-imine (CID 167458195) is 3-cyclohexyl-5,5-dimethyl-1,3-thiazolidin-2-imine.
What is the SMILES notation for 3-cyclohexyl-5,5-dimethyl-1,3-thiazolidin-2-imine?
The canonical SMILES for 3-cyclohexyl-5,5-dimethyl-1,3-thiazolidin-2-imine is [H]/N=C1\SC(C)(C)CN1C1CCCCC1.
What is the InChIKey of 3-cyclohexyl-5,5-dimethyl-1,3-thiazolidin-2-imine?
The InChIKey is CDBUQCDXWZQKEM-BENRWUELSA-N. The full InChI is InChI=1S/C11H20N2S/c1-11(2)8-13(10(12)14-11)9-6-4-3-5-7-9/h9,12H,3-8H2,1-2H3/b12-10-.
What are the key properties of 3-cyclohexyl-5,5-dimethyl-1,3-thiazolidin-2-imine?
3-cyclohexyl-5,5-dimethyl-1,3-thiazolidin-2-imine has a molecular weight of 212.36 g/mol, XLogP of 3.08, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-5,5-dimethyl-1,3-thiazolidin-2-imine is sourced from PubChem (CID 167458195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).